N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxamide

C33H41N7O5S — CID 142345646

About N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxamide

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxamide (PubChem CID 142345646) has the molecular formula C33H41N7O5S and a molecular weight of 647.80 g/mol. Its IUPAC name is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxamide
• PubChem CID: 142345646
• Molecular Formula: C33H41N7O5S
• Molecular Weight: 647.80 g/mol
• Exact Mass: 647.29
• IUPAC Name: N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxamide
• SMILES: C=CCC1(S(=O)(=O)N2CC(C)c3c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)cc(-c4cnc(N5CCN(C)CC5)nc4)cc32)CC1
• InChI: InChI=1S/C33H41N7O5S/c1-6-7-33(8-9-33)46(43,44)40-20-21(2)29-25(30(41)34-19-26-28(45-5)14-22(3)37-31(26)42)15-23(16-27(29)40)24-17-35-32(36-18-24)39-12-10-38(4)11-13-39/h6,14-18,21H,1,7-13,19-20H2,2-5H3,(H,34,41)(H,37,42)
• InChIKey: KMGGUULGAVRXHX-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 140.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	647.80
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxamide?

The IUPAC name of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxamide (CID 142345646) is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxamide.

What is the SMILES notation for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxamide?

The canonical SMILES for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxamide is C=CCC1(S(=O)(=O)N2CC(C)c3c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)cc(-c4cnc(N5CCN(C)CC5)nc4)cc32)CC1.

What is the InChIKey of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxamide?

The InChIKey is KMGGUULGAVRXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N7O5S/c1-6-7-33(8-9-33)46(43,44)40-20-21(2)29-25(30(41)34-19-26-28(45-5)14-22(3)37-31(26)42)15-23(16-27(29)40)24-17-35-32(36-18-24)39-12-10-38(4)11-13-39/h6,14-18,21H,1,7-13,19-20H2,2-5H3,(H,34,41)(H,37,42).

What are the key properties of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxamide?

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxamide has a molecular weight of 647.80 g/mol, XLogP of 3.19, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 142345646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).